SCHEMBL5330286

SCHEMBL5330286

COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.49
THRA P10827 1/20 0.49
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5332095 0.88 THRB (0.63) THRBTHRAALDH1A1HPGDGAA
SCHEMBL5326106 0.84 F2 (0.36) THRBTHRAPOLBLMNAKDM4E
SCHEMBL5324544 0.82 POLB (0.55) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL5328999 0.82 THRB (0.52) THRBALDH1A1HPGDKMT2AMEN1
SCHEMBL5328482 0.81 ALDH1A1 (0.52) THRBALDH1A1HPGDGAAPOLB
SCHEMBL5324978 0.79 POLB (0.43) ALDH1A1HPGDPOLBLMNAHTT
SCHEMBL7041996 0.79 ALDH1A1 (0.50) THRBTHRAALDH1A1HPGDGAA
SCHEMBL5324510 0.78 THRB (0.38) THRBTHRAALDH1A1LMNAHTT
SCHEMBL5329550 0.78 THRB (0.39) THRBTHRAALDH1A1HPGDGAA
SCHEMBL5330302 0.78 MEN1 (0.48) KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed